MolNFT v1 · #163990 · protein

Methyltransferase of the mtga N227A mutant from desulfitobacterium hafniense in complex with methyl-tetrahydrofolate

6SJS · Tetrahydromethanopterin S-methyltransferase: “Methyltransferase of the mtga N227A mutant from desulfitobacterium hafniense in complex with…”. X-ray diffraction, 2 ligands (THH, NA), 7 pockets (best druggability 0.63). MolNFT v1…

PDB: 6SJS
Type: protein
Length: 608 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tetrahydromethanopterin S-methyltransferase
EC: 2.1.1.86
UniProt: B8FUR2
Ligands: THH, NA
Pockets: 7 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Tetrahydromethanopterin S-methyltransferase (EC 2.1.1.86)	protein	304	46% helix, 19% strand	B8FUR2

Ligands and binding sites

THH · N-[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid · ligand · 2 copies · chains A, B
NA · Sodium ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 5 copies · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	396	0.63	0.78	34	THH
2	399	0.61	0.77	36	THH
3	363	0.60	0.77	37	empty
4	113	0.44	0.77	15	empty
5	98	0.37	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 1947 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

6SJS · Methyltransferase of the MtgA N227A mutant from Desulfitobacterium hafniense in complex… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt B8FUR2
Elsewhere: RCSB PDB 6SJS · PDBe 6SJS · UniProt B8FUR2

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